benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate

C14H15F2NO2 — CID 70091222

IUPACbenzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate
SMILESO=C(NC1CC(F)(F)C2CC12)OCc1ccccc1
InChIInChI=1S/C14H15F2NO2/c15-14(16)7-12(10-6-11(10)14)17-13(18)19-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,17,18)
InChIKeyWZGCKGGVZIGWEJ-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.96
Rot. Bonds3

About benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate

benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate (PubChem CID 70091222) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate
PubChem CID70091222
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Namebenzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate
SMILESO=C(NC1CC(F)(F)C2CC12)OCc1ccccc1
InChIInChI=1S/C14H15F2NO2/c15-14(16)7-12(10-6-11(10)14)17-13(18)19-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,17,18)
InChIKeyWZGCKGGVZIGWEJ-UHFFFAOYSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate?
The IUPAC name of benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate (CID 70091222) is benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate.
What is the SMILES notation for benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate?
The canonical SMILES for benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate is O=C(NC1CC(F)(F)C2CC12)OCc1ccccc1.
What is the InChIKey of benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate?
The InChIKey is WZGCKGGVZIGWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c15-14(16)7-12(10-6-11(10)14)17-13(18)19-8-9-4-2-1-3-5-9/h1-5,10-12H,6-8H2,(H,17,18).
What are the key properties of benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate?
benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate has a molecular weight of 267.27 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(4,4-difluoro-2-bicyclo[3.1.0]hexanyl)carbamate is sourced from PubChem (CID 70091222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).